Article
Conformational gating, dynamics and allostery in human monoacylglycerol lipase.
Scientific reports - 28 Oct 2020
Tyukhtenko Sergiy, Ma Xiaoyu, Rajarshi Girija, Karageorgos Ioannis, Anderson Kyle W, Hudgens Jeffrey W, Guo Jason J, Nasr Mahmoud L, Zvonok Nikolai, Vemuri Kiran, Wagner Gerhard, Makriyannis Alexandros
Abstract excerpt
Inhibition of human Monoacylglycerol Lipase (hMGL) offers a novel approach for treating neurological diseases. The design of inhibitors, targeting active-inactive conformational transitions of the enzyme, can be aided by understanding the interplay between structure and dynamics. Here, we report the effects of mutations within the catalytic triad on structure, conformational gating and dynamics of hMGL by...
Topics
- Allosteric Regulation
- Catalysis
- Humans
- Kinetics
- Magnetic Resonance Spectroscopy
- Models, Molecular
- Molecular Dynamics Simulation
- Monoacylglycerol Lipases
- Mutation
- Mutation, Missense
- Protein Conformation
- Structure-Activity Relationship